![1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea structure](/static/products/327/327168-69-4.png)
1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea
TL;DR: 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea (CAS 327168-69-4) is a chemical compound with molecular formula C17H23N3O4S2 and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea
Also Known As: 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea, 1-(5,5-dimethyl-3-piperonyl-2-thioxo-thiazolidin-4-yl)-1-hydroxy-3-isopropyl-urea, 1-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-isopropylurea, 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-oxidanyl-3-propan-2-yl-urea, 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-4-thiazolidinyl]-1-hydroxy-3-propan-2-ylurea
| Molecular Formula | C17H23N3O4S2 |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.113 |
| Heavy Atoms | 26 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 327168-69-4 |
|---|---|
| SMILES | CC(C)NC(=O)N(C1C(SC(=S)N1CC2=CC3=C(C=C2)OCO3)(C)C)O |
| InChIKey | IUFTXJCVBHPPLE-UHFFFAOYSA-N |
Product Overview
1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea (CAS 327168-69-4), with molecular formula C17H23N3O4S2 and molecular weight 397.11 g/mol. IUPAC: 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea.
Chemical Property Profile of 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea
Property Insights of 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea. Following Lipinski's Rule of Five, 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea?
The CAS number of 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea is 327168-69-4.
What is the molecular formula of 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea?
The molecular formula of 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea is C17H23N3O4S2.
What is the molecular weight of 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea?
The molecular weight of 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea is 397.11 g/mol.
Where can I buy 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea?
You can request a quote for 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.